(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol

C10H20O4 — CID 25187162

IUPAC(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
SMILESCC(C)[C@H]1C[C@@H](O)[C@](C)(O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O4/c1-5(2)6-4-7(11)10(3,14)9(13)8(6)12/h5-9,11-14H,4H2,1-3H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyYFASMKQYOXGOCQ-SPFKKGSWSA-N
MW204.27 g/mol
LogP-0.50
Rot. Bonds1

About (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol

(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol (PubChem CID 25187162) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
PubChem CID25187162
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
SMILESCC(C)[C@H]1C[C@@H](O)[C@](C)(O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O4/c1-5(2)6-4-7(11)10(3,14)9(13)8(6)12/h5-9,11-14H,4H2,1-3H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyYFASMKQYOXGOCQ-SPFKKGSWSA-N
XLogP-0.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Epomediol
CID 115056
p-Menthane-1,3-diol
CID 524005
4-(2-Hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
CID 186702
(1S,2S,4R,5S)-5-methylcyclohexane-1,2,4-triol
CID 25227585
Ampelomin E
CID 25243462
(1R,2S,4S,5S)-5-methylcyclohexane-1,2,4-triol
CID 25243463
(1S,2S,4S)-p-menthane-1,2,4-triol
CID 5326310
p-Menthane-1,2-diol
CID 36574
Laminitol
CID 244581
p-Menthane-1,2,3-triol
CID 539044
(1R,2R,4R,8R)-p-Menthane-2,8,9-triol
CID 73809747
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
CID 188642

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol (CID 25187162) is (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol is CC(C)[C@H]1C[C@@H](O)[C@](C)(O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
The InChIKey is YFASMKQYOXGOCQ-SPFKKGSWSA-N. The full InChI is InChI=1S/C10H20O4/c1-5(2)6-4-7(11)10(3,14)9(13)8(6)12/h5-9,11-14H,4H2,1-3H3/t6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol has a molecular weight of 204.27 g/mol, XLogP of -0.50, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 25187162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).